N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid

C16H21N3O7 — CID 23092284

IUPACN-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid
SMILESO=C(/C=C/c1ccccn1)NCCCCCC(=O)NO.O=C(O)C(=O)O
InChIInChI=1S/C14H19N3O3.C2H2O4/c18-13(9-8-12-6-3-5-10-15-12)16-11-4-1-2-7-14(19)17-20;3-1(4)2(5)6/h3,5-6,8-10,20H,1-2,4,7,11H2,(H,16,18)(H,17,19);(H,3,4)(H,5,6)/b9-8+;
InChIKeyPURRZOITXQGXTB-HRNDJLQDSA-N
MW367.36 g/mol
LogP0.43
Rot. Bonds8

About N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid

N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid (PubChem CID 23092284) has the molecular formula C16H21N3O7 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid.

Molecular Properties

Compound NameN-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid
PubChem CID23092284
Molecular FormulaC16H21N3O7
Molecular Weight367.36 g/mol
Exact Mass367.14
IUPAC NameN-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid
SMILESO=C(/C=C/c1ccccn1)NCCCCCC(=O)NO.O=C(O)C(=O)O
InChIInChI=1S/C14H19N3O3.C2H2O4/c18-13(9-8-12-6-3-5-10-15-12)16-11-4-1-2-7-14(19)17-20;3-1(4)2(5)6/h3,5-6,8-10,20H,1-2,4,7,11H2,(H,16,18)(H,17,19);(H,3,4)(H,5,6)/b9-8+;
InChIKeyPURRZOITXQGXTB-HRNDJLQDSA-N
XLogP0.43
TPSA165.92 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 50.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid?
The IUPAC name of N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid (CID 23092284) is N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid.
What is the SMILES notation for N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid?
The canonical SMILES for N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid is O=C(/C=C/c1ccccn1)NCCCCCC(=O)NO.O=C(O)C(=O)O.
What is the InChIKey of N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid?
The InChIKey is PURRZOITXQGXTB-HRNDJLQDSA-N. The full InChI is InChI=1S/C14H19N3O3.C2H2O4/c18-13(9-8-12-6-3-5-10-15-12)16-11-4-1-2-7-14(19)17-20;3-1(4)2(5)6/h3,5-6,8-10,20H,1-2,4,7,11H2,(H,16,18)(H,17,19);(H,3,4)(H,5,6)/b9-8+;.
What are the key properties of N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid?
N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid has a molecular weight of 367.36 g/mol, XLogP of 0.43, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]hexanamide;oxalic acid is sourced from PubChem (CID 23092284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).